UCSF

ZINC22003072

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.82 9.78 -36.38 1 2 1 14 242.342 5
Hi High (pH 8-9.5) 3.82 7.18 -5.08 0 2 0 12 241.334 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )